UCSF

ZINC34985143

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 39 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.43 13.33 -14.43 1 6 0 62 524.64 7
Lo Low (pH 4.5-6) 5.43 15.74 -59.13 2 6 1 63 525.648 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )